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BDBM50033805 CHEMBL3358155

SMILES: Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1

InChI Key: InChIKey=LBVBVIKJOWWVJX-MRXNPFEDSA-N

Data: 30 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50033805   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 930n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Matrix metalloproteinase 7


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP7 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Matrix metalloproteinase 14


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Matrix metalloproteinase 14


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer-VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate in presence of Lewis rat plasma measured after 3 hr...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer-VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate in presence of Lewis rat plasma measured after 3 hr...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 930n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 930n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence ...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS4 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase 7


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP7 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence a...


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS4 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay


J Med Chem 59: 5810-22 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00398
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1 |r|
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair